BioLiP

PDB

BioLiP

PDB CCD ID:

N0G

Number of entries in BioLiP:

Chemical formula:

C26 H22 N2 O2

InChI:

InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17-/t18-/m0/s1

InChIKey:

UXJFDYIHRJGPFS-PTXYPZRJSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[CH](NC(=O)c1ccccc1N=Cc2c(O)ccc3ccccc23)c4ccccc4
OpenEye OEToolkits 2.0.7	C[C@@H](c1ccccc1)NC(=O)c2ccccc2N=Cc3c4ccccc4ccc3O
OpenEye OEToolkits 2.0.7	CC(c1ccccc1)NC(=O)c2ccccc2N=Cc3c4ccccc4ccc3O
ACDLabs 12.01	N(/c2c(C(=O)NC(c1ccccc1)C)cccc2)=C/c4c3c(cccc3)ccc4O
CACTVS 3.385	C[C@H](NC(=O)c1ccccc1N=Cc2c(O)ccc3ccccc23)c4ccccc4

Name:

2-{(Z)-[(2-hydroxynaphthalen-1-yl)methylidene]amino}-N-[(1S)-1-phenylethyl]benzamide;
Sirtinol

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).